smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)[O-])CC(=O)N[O-]	ZINC000026508528	202145106	/nfs/dbraw/zinc/14/51/06/202145106.db2.gz	LGTCXFCDRKWJFU-BQBZGAKWSA-N	-2	3	332.313	-2.531	1	30		EAEFHL
O=c1[n-]c(=O)n([C@]2([S-])CO[C@@H](COP(=O)([O-])[O-])O2)cc1F	ZINC000026730945	202147520	/nfs/dbraw/zinc/14/75/20/202147520.db2.gz	YYAYBDFFCLGAEU-SVGQVSJJSA-N	-4	3	344.213	-1.302	1	30		EAEFHL
O=c1[n-]c(=O)n([C@]2([S-])CO[C@H](COP(=O)([O-])[O-])O2)cc1F	ZINC000026730950	202147465	/nfs/dbraw/zinc/14/74/65/202147465.db2.gz	YYAYBDFFCLGAEU-YLWLKBPMSA-N	-4	3	344.213	-1.302	1	30		EAEFHL
O=c1[n-]c(=O)n([C@@]2([S-])CO[C@H](COP(=O)([O-])[O-])O2)cc1F	ZINC000026730961	202148301	/nfs/dbraw/zinc/14/83/01/202148301.db2.gz	YYAYBDFFCLGAEU-XNCJUZBTSA-N	-4	3	344.213	-1.302	1	30		EAEFHL
C[C@@H](NC(=O)[C@@H](N)CCCNC(N)=N[N+](=O)[O-])P(=O)([O-])[O-]	ZINC000027322921	202153620	/nfs/dbraw/zinc/15/36/20/202153620.db2.gz	MRLBPFGHTJWKGZ-WDSKDSINSA-N	-2	3	326.250	-2.170	1	30		EAEFHL
C[C@H](Cn1cnc2c1nc(N)nc2NC(=N)N)OCP(=O)([O-])[O-]	ZINC000029123087	202181543	/nfs/dbraw/zinc/18/15/43/202181543.db2.gz	SWXLOIHTYGQDFM-RXMQYKEDSA-N	-2	3	344.272	-1.146	1	30		EAEFHL
C[C@@H](Cn1cnc2c1nc(NC(=N)N)nc2N)OCP(=O)([O-])[O-]	ZINC000029123715	202181902	/nfs/dbraw/zinc/18/19/02/202181902.db2.gz	YXLQOCSRBHVDTE-YFKPBYRVSA-N	-2	3	344.272	-1.146	1	30		EAEFHL
[N-]=[N+]=Nc1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](CP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000071281595	203089778	/nfs/dbraw/zinc/08/97/78/203089778.db2.gz	MLGZXNOKGNRVRV-YXZULKJRSA-N	-2	3	349.196	-1.725	1	30		EAEFHL
N#Cc1cn([C@@H]2O[C@H](CP(=O)([O-])[O-])[C@@H](O)[C@H]2F)c(=O)[n-]c1=O	ZINC000071295172	203091729	/nfs/dbraw/zinc/09/17/29/203091729.db2.gz	NOKKNGDKGRBAEA-JXOAFFINSA-N	-3	3	335.184	-1.405	1	30		EAEFHL
NC(N)=NC(=O)c1nc(Cl)c(NCCP(=O)([O-])[O-])nc1N	ZINC000073129736	216353902	/nfs/dbraw/zinc/35/39/02/216353902.db2.gz	ULVIPBWWRZQIAB-UHFFFAOYSA-N	-2	3	337.664	-1.285	1	30		EAEFHL
C[C@@H](Cn1c2ncnc-2c(N)nc1NC(=N)N)OCP(=O)([O-])[O-]	ZINC000101147289	219117773	/nfs/dbraw/zinc/11/77/73/219117773.db2.gz	ODIYKRZBDNCIIW-YFKPBYRVSA-N	-2	3	344.272	-1.195	1	30		EAEFHL
C[C@H](Cn1c2ncnc-2c(N)nc1NC(=N)N)OCP(=O)([O-])[O-]	ZINC000101458930	204008218	/nfs/dbraw/zinc/00/82/18/204008218.db2.gz	ODIYKRZBDNCIIW-RXMQYKEDSA-N	-2	3	344.272	-1.195	1	30		EAEFHL